Geometry & MOs

Info

ID:	288365
PubChem CID:	104315738
Reduced:	Br2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	320.06366
ΔH_f, kcal/mol:	66.74
Dipole, Da:	2.82
IP(EA), eV:	-9.09(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5-bromopyridin-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCC(CC1=CN=C(N=C1)C2=C(C=C(C=N2)Br)Br)N

DOS

IR

Vibrations